Chemie Search results for query - 日本蛋白質結構資料庫

English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

PDB Info pages Status search Chemie search: 44195 results BIRD

4BP

4BP
Name:	4,4'-bis(bromomethyl)biphenyl
Formula:	C14 H12 Br2
SMILES:	BrCc2ccc(c1ccc(cc1)CBr)cc2
InChi:	InChI=1S/C14H12Br2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2
Definition date:	2012-09-28
Last modified:	2024-09-27
Release date:	2012-11-30
Identifier:	4,4'-bis(bromomethyl)biphenyl

YIL

YIL
Name:	N~2~-{[3-(acetamidomethyl)phenyl]acetyl}-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1,1-dihydroxypentan-2-yl]-L-leucinamide
Formula:	C30 H41 N7 O5 S
SMILES:	CC(=O)NCc1cccc(c1)CC(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(O)(O)c1nc2ccccc2s1
InChi:	InChI=1S/C30H41N7O5S/c1-18(2)14-23(35-26(39)16-20-8-6-9-21(15-20)17-34-19(3)38)27(40)37-25(12-7-13-33-29(31)32)30(41,42)28-36-22-10-4-5-11-24(22)43-28/h4-6,8-11,15,18,23,25,41-42H,7,12-14,16-17H2,1-3H3,(H,34,38)(H,35,39)(H,37,40)(H4,31,32,33)/t23-,25-/m0/s1
Definition date:	2023-02-06
Last modified:	2024-09-27
Release date:	2024-07-10
Identifier:	N~2~-{[3-(acetamidomethyl)phenyl]acetyl}-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1,1-dihydroxypentan-2-yl]-L-leucinamide

NL7

NL7
Name:	4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:	C12 H12 N2 O6 S2
SMILES:	c1cc(S(=O)(=O)O)ccc1S(Nc2cc(OC)cnc2)(=O)=O
InChi:	InChI=1S/C12H12N2O6S2/c1-20-10-6-9(7-13-8-10)14-21(15,16)11-2-4-12(5-3-11)22(17,18)19/h2-8,14H,1H3,(H,17,18,19)
Definition date:	2019-05-20
Last modified:	2024-09-27
Release date:	2020-03-04
Identifier:	4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid

VPF

VPF
Name:	N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide
Formula:	C22 H32 N3 O8 P
SMILES:	O=C(NC(Cc1ccccc1)P(=O)(O)O)C2N(C(=O)C(NC(=O)CCC(=O)O)C(C)C)CCC2
InChi:	InChI=1S/C22H32N3O8P/c1-14(2)20(23-17(26)10-11-19(27)28)22(30)25-12-6-9-16(25)21(29)24-18(34(31,32)33)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18,20H,6,9-13H2,1-2H3,(H,23,26)(H,24,29)(H,27,28)(H2,31,32,33)/t16-,18-,20-/m0/s1
Definition date:	2012-02-10
Last modified:	2024-09-27
Release date:	2013-01-18
Identifier:	N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide

L68

L68
Name:	2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid
Formula:	C23 H16 F2 N4 O3
SMILES:	Cn1cc(cn1)c2ccc(C(O)=O)c(C=CC(=O)c3c(F)cc(cc3F)c4c[nH]nc4)c2
InChi:	InChI=1S/C23H16F2N4O3/c1-29-12-17(11-28-29)13-2-4-18(23(31)32)14(6-13)3-5-21(30)22-19(24)7-15(8-20(22)25)16-9-26-27-10-16/h2-12H,1H3,(H,26,27)(H,31,32)/b5-3+
Definition date:	2019-07-23
Last modified:	2024-09-27
Release date:	2019-11-27
Identifier:	2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid

N78

N78
Name:	~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide
Formula:	C32 H28 N6 O5
SMILES:	CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3ncnc(Nc4ccc(CN5C(=O)c6ccccc6C5=O)cc4)c23
InChi:	InChI=1S/C32H28N6O5/c1-2-27(40)37-25-15-20(9-12-26(25)43-14-13-39)24-16-33-29-28(24)30(35-18-34-29)36-21-10-7-19(8-11-21)17-38-31(41)22-5-3-4-6-23(22)32(38)42/h3-12,15-16,18,39H,2,13-14,17H2,1H3,(H,37,40)(H2,33,34,35,36)
Definition date:	2019-11-14
Last modified:	2024-09-27
Release date:	2020-09-30
Identifier:	~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide

O0O

O0O
Name:	2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C20 H28 Cl2 N4 O2
SMILES:	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccc(Cl)cc3
InChi:	InChI=1S/C20H28Cl2N4O2/c21-13-18(27)24-14-15-5-11-26(12-6-15)19(28)20(7-9-23-10-8-20)25-17-3-1-16(22)2-4-17/h1-4,15,23,25H,5-14H2,(H,24,27)
Definition date:	2022-08-25
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide

QVR

QVR
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol
Formula:	C12 H15 N5 O3
SMILES:	CC=C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C12H15N5O3/c1-2-3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h2-6,8-9,12,18-19H,1H3,(H2,13,14,15)/b3-2+/t6-,8-,9-,12-/m1/s1
Definition date:	2016-12-22
Last modified:	2024-09-27
Release date:	2017-03-22
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol

NL9

NL9
Name:	[1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid
Formula:	C9 H8 B Cl N2 O2
SMILES:	Clc1cccc(c1)n2ncc(c2)B(O)O
InChi:	InChI=1S/C9H8BClN2O2/c11-8-2-1-3-9(4-8)13-6-7(5-12-13)10(14)15/h1-6,14-15H
Definition date:	2013-08-06
Last modified:	2024-09-27
Release date:	2014-07-30
Identifier:	[1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid

U44

U44
Name:	(2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
Formula:	C11 H22 N2 O3 S
SMILES:	C(S)CNC(CCNC(=O)C(C(C)(C)C)O)=O
InChi:	InChI=1S/C11H22N2O3S/c1-11(2,3)9(15)10(16)13-5-4-8(14)12-6-7-17/h9,15,17H,4-7H2,1-3H3,(H,12,14)(H,13,16)/t9-/m0/s1
Definition date:	2020-04-16
Last modified:	2024-09-27
Release date:	2020-07-01
Identifier:	(2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide

XDJ

XDJ
Name:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine
Formula:	C14 H19 N7 O4
SMILES:	C(O)(CN(C1C(N)CCC1)C(Cn2cnc3c2N=C(N)NC3=O)=O)=O
InChi:	InChI=1S/C14H19N7O4/c15-7-2-1-3-8(7)21(5-10(23)24)9(22)4-20-6-17-11-12(20)18-14(16)19-13(11)25/h6-8H,1-5,15H2,(H,23,24)(H3,16,18,19,25)/t7-,8-/m0/s1
Definition date:	2020-12-11
Last modified:	2024-09-27
Release date:	2020-12-23
Identifier:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine

L6B

L6B
Name:	methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate
Formula:	C15 H18 N2 O4
SMILES:	COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O
InChi:	InChI=1S/C15H18N2O4/c1-21-13(18)7-4-8-16-14(19)11-9-10-5-2-3-6-12(10)17-15(11)20/h4,8-9H,2-3,5-7H2,1H3,(H,16,19)(H,17,20)/b8-4+
Definition date:	2019-07-23
Last modified:	2024-09-27
Release date:	2019-11-27
Identifier:	methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate

VPI

VPI
Name:	[(3~{R})-4-[[3-(6-acetamidohexylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
Formula:	C17 H34 N3 O8 P
SMILES:	CC(=O)NCCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
InChi:	InChI=1S/C17H34N3O8P/c1-13(21)18-9-6-4-5-7-10-19-14(22)8-11-20-16(24)15(23)17(2,3)12-28-29(25,26)27/h15,23H,4-12H2,1-3H3,(H,18,21)(H,19,22)(H,20,24)(H2,25,26,27)/t15-/m0/s1
Definition date:	2023-08-02
Last modified:	2024-09-27
Release date:	2023-11-01
Identifier:	[(3~{R})-4-[[3-(6-acetamidohexylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate

QVS

QVS
Name:	8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid
Formula:	C10 H8 N2 O3
SMILES:	Nc1cccc2c(O)cc(nc12)C(O)=O
InChi:	InChI=1S/C10H8N2O3/c11-6-3-1-2-5-8(13)4-7(10(14)15)12-9(5)6/h1-4H,11H2,(H,12,13)(H,14,15)
Definition date:	2016-05-24
Last modified:	2024-09-27
Release date:	2017-03-01
Identifier:	8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid

UHN

UHN
Name:	4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde
Formula:	C16 H22 N2 O3 S
SMILES:	O=Cc1ccc(cc1)[S](=O)(=O)N2CCC(CC2)N3CCCC3
InChi:	InChI=1S/C16H22N2O3S/c19-13-14-3-5-16(6-4-14)22(20,21)18-11-7-15(8-12-18)17-9-1-2-10-17/h3-6,13,15H,1-2,7-12H2
Definition date:	2021-02-23
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde

N7B

N7B
Name:	~{N}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
Formula:	C31 H29 N7 O3
SMILES:	CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3ncnc(Nc4ccc5n(Cc6ccccc6)ncc5c4)c23
InChi:	InChI=1S/C31H29N7O3/c1-2-28(40)37-25-15-21(8-11-27(25)41-13-12-39)24-17-32-30-29(24)31(34-19-33-30)36-23-9-10-26-22(14-23)16-35-38(26)18-20-6-4-3-5-7-20/h3-11,14-17,19,39H,2,12-13,18H2,1H3,(H,37,40)(H2,32,33,34,36)
Definition date:	2019-11-14
Last modified:	2024-09-27
Release date:	2020-09-30
Identifier:	~{N}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide

Y5F

Y5F
Name:	2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide
Formula:	C13 H7 Cl N4 O3
SMILES:	O=C(Nc1cc(cnc1)C#N)c1cc(ccc1Cl)[N+]([O-])=O
InChi:	InChI=1S/C13H7ClN4O3/c14-12-2-1-10(18(20)21)4-11(12)13(19)17-9-3-8(5-15)6-16-7-9/h1-4,6-7H,(H,17,19)
Definition date:	2023-01-05
Last modified:	2024-09-27
Release date:	2024-04-17
Identifier:	2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide

L6C

L6C
Name:	phenyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
Formula:	C16 H15 N O3
SMILES:	O=C(Oc1ccccc1)NC(c2ccccc2)CC=O
InChi:	InChI=1S/C16H15NO3/c18-12-11-15(13-7-3-1-4-8-13)17-16(19)20-14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H,17,19)/t15-/m1/s1
Definition date:	2013-02-11
Last modified:	2024-09-27
Release date:	2013-05-22
Identifier:	phenyl [(1R)-3-oxo-1-phenylpropyl]carbamate

NLB

NLB
Name:	6-(benzyloxy)-L-norleucine
Formula:	C13 H19 N O3
SMILES:	O=C(O)C(N)CCCCOCc1ccccc1
InChi:	InChI=1S/C13H19NO3/c14-12(13(15)16)8-4-5-9-17-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,14H2,(H,15,16)/t12-/m0/s1
Definition date:	2014-11-09
Last modified:	2024-09-27
Release date:	2015-02-11
Identifier:	6-(benzyloxy)-L-norleucine

PNY

PNY
Name:	(2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
Formula:	C11 H22 N2 O4 S
SMILES:	O=C(NCCS)CCNC(=O)C(O)C(C)(C)CO
InChi:	InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1
Synonyms:	pantetheine
Definition date:	2010-07-06
Last modified:	2024-09-27
Identifier:	(2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide

UVB

UVB
Name:	4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde
Formula:	C12 H15 N O4 S
SMILES:	O[CH]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C12H15NO4S/c14-9-10-3-5-12(6-4-10)18(16,17)13-7-1-2-11(15)8-13/h3-6,9,11,15H,1-2,7-8H2/t11-/m0/s1
Definition date:	2021-03-23
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde

UHQ

UHQ
Name:	4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde
Formula:	C14 H20 N2 O3 S
SMILES:	CN(C)C1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C14H20N2O3S/c1-15(2)13-7-9-16(10-8-13)20(18,19)14-5-3-12(11-17)4-6-14/h3-6,11,13H,7-10H2,1-2H3
Definition date:	2021-02-23
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde

19W

19W
Name:	5-(aminooxy)-L-norvaline
Formula:	C5 H12 N2 O3
SMILES:	O=C(O)C(N)CCCON
InChi:	InChI=1S/C5H12N2O3/c6-4(5(8)9)2-1-3-10-7/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
Definition date:	2012-11-12
Last modified:	2024-09-27
Release date:	2013-08-21
Identifier:	5-(aminooxy)-L-norvaline

O0U

O0U
Name:	2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide
Formula:	C22 H16 Cl N3 O4
SMILES:	CCc1ccc(cc1)c2oc3ccc(NC(=O)c4cc(ccc4Cl)[N](=O)=O)cc3n2
InChi:	InChI=1S/C22H16ClN3O4/c1-2-13-3-5-14(6-4-13)22-25-19-11-15(7-10-20(19)30-22)24-21(27)17-12-16(26(28)29)8-9-18(17)23/h3-12H,2H2,1H3,(H,24,27)
Definition date:	2022-08-25
Last modified:	2024-09-27
Release date:	2022-11-09
Identifier:	2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide

L6E

L6E
Name:	[2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate
Formula:	C17 H21 N3 O5
SMILES:	CNC(=O)COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O
InChi:	InChI=1S/C17H21N3O5/c1-18-14(21)10-25-15(22)7-4-8-19-16(23)12-9-11-5-2-3-6-13(11)20-17(12)24/h4,7,9H,2-3,5-6,8,10H2,1H3,(H,18,21)(H,19,23)(H,20,24)/b7-4+
Definition date:	2019-07-23
Last modified:	2024-09-27
Release date:	2019-11-27
Identifier:	[2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate

<79 80 81 82 83 84 858687 88 89 90 91 92 93 94 >

243083

數據於2025-10-15公開中

PDB statistics

PDBj update info

Contact PDBj

numon